AG0031A5

3078-36-2 | 1H-Pyrrole-2-propanoic acid, α-amino-

AG0031A5

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CAS Number	3078-36-2
Catalog Number	AG0031A5(AGN-PC-0WCZBK)
Chemical Name	1H-Pyrrole-2-propanoic acid, α-amino-
IUPAC Name	2-amino-3-(1H-pyrrol-2-yl)propanoic acid
InChI	InChI=1S/C7H10N2O2/c8-6(7(10)11)4-5-2-1-3-9-5/h1-3,6,9H,4,8H2,(H,10,11)
InChI Key	REBWUCRWJNKVLL-UHFFFAOYSA-N
MDL Number	MFCD09841939
Molecular Formula	C7H10N2O2
Molecular Weight	154.1665
SMILES	NC(C(=O)O)CC=1NC=CC1
Synonyms	2-Amino-3-(1H-pyrrol-2-yl)propanoic acid, 3078-36-2, 3-(2-Pyrrolyl)-dl-alanine, 1H-Pyrrole-2-propanoic acid, alpha-amino-, 2-AMINO-3-(1H-PYRROL-2-YL)-PROPIONIC ACID, 3-(1H-Pyrrol-2-yl)alanine, SCHEMBL5298353, CTK7I4466, DTXSID10591095, 3265AB, ANW-52567, MFCD09841939, AKOS012261648, ST2416338, TC-141312, FT-0694564, Z-7015, 1H-PYRROLE-2-ETHANAMINE, .ALPHA.-METHYL-, S14-2567, Z2740002418, 3- -DL-alanine, C7H10N2O2, (R)-2-Amino-3-(1H-pyrrol-2-yl)propanoic acid, (S)-2-Amino-3-(1H-pyrrol-2-yl)propanoic acid, 1270188-90-3, 698342-24-4,

Complexity	149
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	154.074g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	154.169g/mol
Monoisotopic Mass	154.074g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	79.1A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	-2.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H317
Packing Group
Precautionary statements	P280
UN Code

Certificate of Analysis

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